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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Aug-2024 | /9b-cptjohnphos/9b-cptjohnphos-13-t1 9b-cptjohnphos-13-t1-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2034.26466556; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-00-lpdoh2 3i-xphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3809.99267713; Eh | |||
 | 7-Aug-2024 | /3h-ruphos/3h-ruphos-05-c2 3h-ruphos-05-c2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2498.37965925; Eh | |||
 | 7-Aug-2024 | /3i-xphos/3i-xphos-15-t2 3i-xphos-15-t2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2465.86765857; Eh | |||
 | 6-Aug-2024 | /2g-pcy3/2g-pcy3-54-cw-ref 2g-pcy3-54-cw-ref-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1399.58836488; Eh | |||
 | 6-Aug-2024 | /9g-pet3/9g-pet3-43-t3-lig 9g-pet3-43-t3-lig-orcasp | Ser, Cher Tian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1819.31382666; Eh | |||
 | 6-Aug-2024 | /3c-phdavephos/3c-phdavephos-25-ts-t5-t6 3c-phdavephos-25-ts-t5-t6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -2315.55067442; Eh | |||
 | 6-Aug-2024 | /2i-ptbu2cy/2i-ptbu2cy-23-ts-c5-c6 2i-ptbu2cy-23-ts-c5-c6-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1807.45269238; Eh | |||
 | 6-Aug-2024 | /9c-etjohnphos/9c-etjohnphos-06-c2-h2o 9c-etjohnphos-06-c2-h2o-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -1877.61343864; Eh | |||
 | 7-Aug-2024 | /3q-adjohnphos/3q-adjohnphos-00-lpdoh2 3q-adjohnphos-00-lpdoh2-opt | Ser, Cher Tian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | DEF2SVP DEF2SVP/W06 | -3721.99316067; Eh |
Results 1341-1350 of 5215 (Search time: 0.002 seconds).